basis=cc-pvqz occ=9,3,3,1/8,3,3,0 scfdamp=0.2 calc=CCSDT symm=4 mult=3 mem=64000MB rohftype=semicanonical scftype=rohf scfmaxit=200 ccmaxit=300 geom=xyz 2 UCCSD(T)/USERDEF ENERGY=-997.66328047 V 0.0000000000 0.0000000000 0.0188401345 N 0.0000000000 0.0000000000 1.5811598655